ethane;1,4,4-trimethylpyridine

C10H19N — CID 142005852

IUPACethane;1,4,4-trimethylpyridine
SMILESCC.CN1C=CC(C)(C)C=C1
InChIInChI=1S/C8H13N.C2H6/c1-8(2)4-6-9(3)7-5-8;1-2/h4-7H,1-3H3;1-2H3
InChIKeySONQWHBXBVQHJH-UHFFFAOYSA-N
MW153.27 g/mol
LogP3.01
Rot. Bonds

About ethane;1,4,4-trimethylpyridine

ethane;1,4,4-trimethylpyridine (PubChem CID 142005852) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is ethane;1,4,4-trimethylpyridine.

Molecular Properties

Compound Nameethane;1,4,4-trimethylpyridine
PubChem CID142005852
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Nameethane;1,4,4-trimethylpyridine
SMILESCC.CN1C=CC(C)(C)C=C1
InChIInChI=1S/C8H13N.C2H6/c1-8(2)4-6-9(3)7-5-8;1-2/h4-7H,1-3H3;1-2H3
InChIKeySONQWHBXBVQHJH-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-Dihydro-N,N,4,4-tetramethyl-1-pyridineethanamine
CID 20141002
1,4-Dihydro-1,4-dimethylpyridine
CID 12220928
(E)-N,N-diethylbut-1-en-1-amine
CID 12664030
1,1,3,3-tetramethyl-2H-pyrrol-1-ium
CID 90869722
CID 139242695
CID 139242695
1-propyl-4H-pyridine
CID 12220926
1-Ethyl-4-methyl-1,4-dihydropyridine
CID 12220930
(E)-N,N-diethyl-3-methylbut-1-en-1-amine
CID 13203915
1,3,3-trimethyl-2H-pyrrole
CID 19800215
[(E)-but-1-enyl]-triethylazanium
CID 19995424
(E)-N,N-bis[(E)-but-1-enyl]but-1-en-1-amine
CID 20138685
[(E)-3,3-dimethyl-but-1-enyl]-dimethyl-amine
CID 21437185

Frequently Asked Questions

What is the IUPAC name of ethane;1,4,4-trimethylpyridine?
The IUPAC name of ethane;1,4,4-trimethylpyridine (CID 142005852) is ethane;1,4,4-trimethylpyridine.
What is the SMILES notation for ethane;1,4,4-trimethylpyridine?
The canonical SMILES for ethane;1,4,4-trimethylpyridine is CC.CN1C=CC(C)(C)C=C1.
What is the InChIKey of ethane;1,4,4-trimethylpyridine?
The InChIKey is SONQWHBXBVQHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C2H6/c1-8(2)4-6-9(3)7-5-8;1-2/h4-7H,1-3H3;1-2H3.
What are the key properties of ethane;1,4,4-trimethylpyridine?
ethane;1,4,4-trimethylpyridine has a molecular weight of 153.27 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,4,4-trimethylpyridine is sourced from PubChem (CID 142005852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).